2,3,5,6-Tetramethylphenol

PubChem CID: 10694

Connections displayed (default: 10).

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Compound Synonyms	2,3,5,6-TETRAMETHYLPHENOL, Durenol, 527-35-5, Phenol, tetramethyl-, Phenol, 2,3,5,6-tetramethyl-, 2,3,5,6-TETRAMETHYL PHENOL, D3E9LGC5N8, DUROPHENOL, CCRIS 5844, EINECS 208-415-0, NSC 65612, NSC-65612, UNII-D3E9LGC5N8, DTXSID7060174, KLAQSPUVCDBEGF-UHFFFAOYSA-, TETRAMETHYLPHENOL, 2,3,5,6-, 2,5,6-Tetramethylphenol, NCIOpen2_000269, Phenol,3,5,6-tetramethyl-, SCHEMBL204468, DTXCID2041256, NSC65612, AKOS006272586, HS-6524, DB-127375, NS00008282, AG-777/36181010, 208-415-0
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Deep Smiles	CcccC)ccc6C))O))C
Heavy Atom Count	11.0
Classyfire Class	Phenols
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Cresols
Isotope Atom Count	0.0
Molecular Complexity	119.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2,3,5,6-tetramethylphenol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	3.0
Gsk 4 400 Rule	True
Molecular Formula	C10H14O
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	0.0
Inchi Key	KLAQSPUVCDBEGF-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.4
Logs	-2.563
Rotatable Bond Count	0.0
Logd	2.858
Synonyms	durenol
Esol Class	Soluble
Functional Groups	cO
Compound Name	2,3,5,6-Tetramethylphenol
Prediction Hob Swissadme	0.0
Exact Mass	150.104
Formal Charge	0.0
Monoisotopic Mass	150.104
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	150.22
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.077606563636364
Inchi	InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
Smiles	CC1=CC(=C(C(=C1C)O)C)C
Nring	1.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
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21. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943
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24. Outgoing r'ship FOUND_IN to/from Cymbopogon Martini (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1341344
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42. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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54. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854507
56. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
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58. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1404497
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66. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
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77. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977569
87. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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2,3,5,6-Tetramethylphenol

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Phytochemical Properties

Associated Connections 90

Plant Connections 90